R LATTICE,NONEQUIV.ATOMS 3 148 R-3 MODE OF CALC=RELA unit=bohr 10.069594 10.069594 31.559936 90.000000 90.000000120.000000 ATOM -1: X=0.13879000 Y=0.13879000 Z=0.13879000 MULT= 2 ISPLIT= 4 -1: X=0.86121000 Y=0.86121000 Z=0.86121000 Ag NPT= 781 R0=.000010000 RMT= 2.44 Z: 47.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -2: X=0.33690000 Y=0.33690000 Z=0.33690000 MULT= 2 ISPLIT= 4 -2: X=0.66310000 Y=0.66310000 Z=0.66310000 Sb NPT= 781 R0=.000010000 RMT= 1.99 Z: 51.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -3: X=0.45710000 Y=0.67981000 Z=0.05680000 MULT= 6 ISPLIT= 8 -3: X=0.54290000 Y=0.32019000 Z=0.94320000 -3: X=0.67981000 Y=0.05680000 Z=0.45710000 -3: X=0.32019000 Y=0.94320000 Z=0.54290000 -3: X=0.05680000 Y=0.45710000 Z=0.67981000 -3: X=0.94320000 Y=0.54290000 Z=0.32019000 O NPT= 781 R0=.000100000 RMT= 1.71 Z: 8.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000